5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C19H15FN2O3 — CID 53126324

IUPAC5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(C)c(F)c4)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O3/c1-10-4-5-12(8-15(10)20)19-21-18(22-25-19)17-11(2)14-9-13(23-3)6-7-16(14)24-17/h4-9H,1-3H3
InChIKeyBWAVOGIZVZPSET-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.91
Rot. Bonds3

About 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53126324) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53126324
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(C)c(F)c4)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O3/c1-10-4-5-12(8-15(10)20)19-21-18(22-25-19)17-11(2)14-9-13(23-3)6-7-16(14)24-17/h4-9H,1-3H3
InChIKeyBWAVOGIZVZPSET-UHFFFAOYSA-N
XLogP4.91
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53126324) is 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(-c4ccc(C)c(F)c4)n3)c(C)c2c1.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is BWAVOGIZVZPSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-10-4-5-12(8-15(10)20)19-21-18(22-25-19)17-11(2)14-9-13(23-3)6-7-16(14)24-17/h4-9H,1-3H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 338.34 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).